[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[2-(m-tolylcarbamoyl)anilino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[2-[(3-methylanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-[2-(m-tolylcarbamoyl)anilino]ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CN(N=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C21H20N4O4/c1-14-6-5-7-16(10-14)23-20(27)17-8-3-4-9-18(17)24-19(26)13-29-21(28)15-11-22-25(2)12-15/h3-12H,13H2,1-2H3,(H,23,27)(H,24,26)